4-(6-aminohexylamino)-N-propylbenzenesulfonamide

C15H27N3O2S — CID 107844635

IUPAC4-(6-aminohexylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCCCCCN)cc1
InChIInChI=1S/C15H27N3O2S/c1-2-12-18-21(19,20)15-9-7-14(8-10-15)17-13-6-4-3-5-11-16/h7-10,17-18H,2-6,11-13,16H2,1H3
InChIKeyWLLDICRPEPKZLE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.31
Rot. Bonds11

About 4-(6-aminohexylamino)-N-propylbenzenesulfonamide

4-(6-aminohexylamino)-N-propylbenzenesulfonamide (PubChem CID 107844635) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-aminohexylamino)-N-propylbenzenesulfonamide
PubChem CID107844635
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-(6-aminohexylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCCCCCN)cc1
InChIInChI=1S/C15H27N3O2S/c1-2-12-18-21(19,20)15-9-7-14(8-10-15)17-13-6-4-3-5-11-16/h7-10,17-18H,2-6,11-13,16H2,1H3
InChIKeyWLLDICRPEPKZLE-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
4-(4-aminobutylamino)-N-propan-2-ylbenzenesulfonamide
CID 60895600
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
N-[4-(5-aminopentylamino)phenyl]benzenesulfonamide
CID 59230924
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexylamino)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(6-aminohexylamino)-N-propylbenzenesulfonamide (CID 107844635) is 4-(6-aminohexylamino)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(6-aminohexylamino)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(6-aminohexylamino)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCCCCCCN)cc1.
What is the InChIKey of 4-(6-aminohexylamino)-N-propylbenzenesulfonamide?
The InChIKey is WLLDICRPEPKZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-2-12-18-21(19,20)15-9-7-14(8-10-15)17-13-6-4-3-5-11-16/h7-10,17-18H,2-6,11-13,16H2,1H3.
What are the key properties of 4-(6-aminohexylamino)-N-propylbenzenesulfonamide?
4-(6-aminohexylamino)-N-propylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.31, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-N-propylbenzenesulfonamide is sourced from PubChem (CID 107844635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).